UCSF

ZINC49292332

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.97 6.98 -121.43 4 4 2 52 277.412 7
Hi High (pH 8-9.5) 0.97 5.18 -48.98 3 4 1 51 276.404 7
Hi High (pH 8-9.5) 0.97 6.68 -40.83 3 4 1 51 276.404 7

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.